SCHEMBL22969178

SCHEMBL22969178

c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5c6c(cccc46)-c4ccccc4S5)c4ccccc34)c2)cc1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.31
PTGER4 P35408 1/20 0.31
PTGER3 P43115 1/20 0.31
PTGER2 P43116 1/20 0.31
PTGS2 P35354 1/20 0.30
OPRK1 P41145 1/20 0.30
PDE4D Q08499 1/20 0.30
DRD2 P14416 1/20 0.30
MEN1 O00255 1/20 0.30
APAF1 O14727 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
XBP1 P17861 1/20 0.30
PTBP1 P26599 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
GALK1 P51570 1/20 0.30
BLM P54132 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22969354 0.99 PTGER1 (0.32) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL24254091 0.94 CRHBP (0.33) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL22969193 0.92 ACHE (0.33)
SCHEMBL22969186 0.92 ACHE (0.34) MAPTTHRBHTTSMN1; SMN2
SCHEMBL16558476 0.91 THRB (0.33) DRD2MEN1APAF1NPC1LMNA
SCHEMBL22969187 0.90 ACHE (0.32) PTGS2OPRK1PDE4D
SCHEMBL22969342 0.90 ACHE (0.33)
SCHEMBL22969353 0.90 ACHE (0.35) MAPTTHRBSMN1; SMN2
SCHEMBL22969362 0.89 ACHE (0.33) PTGER1PTGER4PTGER3PTGER2
SCHEMBL22969171 0.89 PDCD1 (0.36) PTGS2MAPTHTTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021025162-A1 NOVEL COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING SAME, AND ELECTRONIC APPLIANCE 出光興産株式会社 2021-02-11 WO disclosed
WO-2021025163-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE USING SAME 出光興産株式会社 2021-02-11 WO disclosed